4-ethanoyl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-1H-pyrrole-2-carboxamide

Systemtic Name: 4-ethanoyl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-N-(2-pyrrolidino-1,3-benzothiazol-6-yl)-1H-pyrrole-2-carboxamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4

InChI

InChI=1S/C18H18N4O2S/c1-11(23)12-8-15(19-10-12)17(24)20-13-4-5-14-16(9-13)25-18(21-14)22-6-2-3-7-22/h4-5,8-10,19H,2-3,6-7H2,1H3,(H,20,24)